General Information of the Compound
| Compound ID |
CP0579468
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| Compound Name |
7-(1,3-benzodioxol-5-ylmethoxy)-4-(trifluoromethyl)chromen-2-one
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| Structure |
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| Formula |
C18H11F3O5
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| Molecular Weight |
364.275
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| Canonical SMILES |
FC(F)(F)c1cc(=O)oc2cc(OCc3ccc4OCOc4c3)ccc12
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| InChI |
InChI=1S/C18H11F3O5/c19-18(20,21)13-7-17(22)26-15-6-11(2-3-12(13)15)23-8-10-1-4-14-16(5-10)25-9-24-14/h1-7H,8-9H2
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| InChIKey |
NBFMPTFHJCSBTC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound